UCSF

ZINC32624494

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 23 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 6.57 -35.33 1 5 0 72 327.409 3
Mid Mid (pH 6-8) 4.15 6.48 -9.32 2 5 0 74 327.409 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )